(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol

C16H30O2Si — CID 132603328

IUPAC(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
SMILESC=C(C)C[C@H](O)CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-14(2)13-15(17)11-9-8-10-12-18-19(6,7)16(3,4)5/h15,17H,1,10-13H2,2-7H3/t15-/m1/s1
InChIKeyRJSUNJSUDDEVEE-OAHLLOKOSA-N
MW282.50 g/mol
LogP4.12
Rot. Bonds6

About (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol

(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol (PubChem CID 132603328) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol.

Molecular Properties

Compound Name(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
PubChem CID132603328
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
SMILESC=C(C)C[C@H](O)CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-14(2)13-15(17)11-9-8-10-12-18-19(6,7)16(3,4)5/h15,17H,1,10-13H2,2-7H3/t15-/m1/s1
InChIKeyRJSUNJSUDDEVEE-OAHLLOKOSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 21344899
CID 21344899
(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
CID 10385752
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
CID 58797956
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
CID 164949414
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
CID 15222237
5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol
CID 10399504
lithium tert-butyl-but-3-ynoxy-dimethylsilane
CID 11063224
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150

Frequently Asked Questions

What is the IUPAC name of (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
The IUPAC name of (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol (CID 132603328) is (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol.
What is the SMILES notation for (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
The canonical SMILES for (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol is C=C(C)C[C@H](O)CC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
The InChIKey is RJSUNJSUDDEVEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-14(2)13-15(17)11-9-8-10-12-18-19(6,7)16(3,4)5/h15,17H,1,10-13H2,2-7H3/t15-/m1/s1.
What are the key properties of (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol has a molecular weight of 282.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol is sourced from PubChem (CID 132603328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).